GL1X · GenesisL1 explorer

Ligand · T78

T78 · (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide

T78, (6M)-N-(2-chloro-4-methylpyridin-3-yl)-6-[4-ethyl-3-(hydroxymethyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-5-fluoro-2-{[(2S)-1,1,1-trifluoropropan-2-yl]oxy}pyridine-3-carboxamide (C20 H19 Cl F4 N6 O4, 518.9 g/mol), in the MolNFT…

Component
T78
Formula
C20 H19 Cl F4 N6 O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

T78 in 2 structures; the first of them:

  • 8DHG · Dhodh in complex with ligand 19 · T78 A403 · binds TYR38, LEU42, MET43, LEU46, GLN47, LEU50, PRO52, ALA55 and 17 more
  • 8DHG · Dhodh in complex with ligand 19 · T78 A403 · binds TYR38, MET43, LEU46, GLN47, LEU50, PRO52, ALA55, HIS56 and 14 more

Residues it binds most

LEU 2, ALA 2, PHE 2, PRO 2, THR 2, TYR 2, VAL 2, MET 2, ARG 2, GLN 2 (residue and the binding sites it lines).

Found with

  • FMN · Flavin mononucleotide
  • ORO · Orotic acid
  • SO4 · Sulfate ion
  • ACT · Acetate ion
  • GOL · Glycerol

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